Crystallography Open Database

Information card for entry 4335228

Preview

Coordinates	4335228.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ammonium hexafluorotechnetate(IV)
Chemical name	Ammonium hexafluorotechnetate(IV)
Formula	F6 N2 Tc
Calculated formula	F6 H8 N2 Tc
SMILES	F[Tc](F)(F)(F)([F-])[F-].[NH4+].[NH4+]
Title of publication	Hexafluoridotechnetate(IV) Revisited
Authors of publication	Samundeeswari Mariappan Balasekaran; Matthias Molski; Johann Spandl; Adelheid Hagenbach; Roger Alberto; Ulrich Abram
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	7094 - 7099
a	5.943 ± 0.001 Å
b	5.943 ± 0.001 Å
c	4.738 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	144.92 ± 0.05 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
Space group number	164
Hermann-Mauguin space group symbol	P -3 m 1
Hall space group symbol	-P 3 2"
Residual factor for all reflections	0.0544
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.167
Weighted residual factors for all reflections included in the refinement	0.167
Goodness-of-fit parameter for all reflections included in the refinement	1.389
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
189075 (current)	2016-12-12	cif/4 (antanas@echidna.ibt.lt) Marking attached hydrogen atoms.	4335228.cif
179455	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/52.	4335228.cif
171491	2015-12-13	cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4.	4335228.cif
101137	2014-02-10	cif/ Adding structures of 4335228 via cif-deposit CGI script.	4335228.cif